InCu2
Alexandria ALEXAlex-ID: agm005431074 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_59_spg74
Cu In
2023-03-20 16:57:43.601977
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005431074).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005431074
data_agm005431074
_cell_length_a 8.67928
_cell_length_b 8.67928
_cell_length_c 8.67928
_cell_angle_alpha 161.17985
_cell_angle_beta 151.98494
_cell_angle_gamma 33.96695
_cell_volume 98.98434
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In1 In 0.12968 0.37968 0.75000 1.00000
In2 In 0.87032 0.62032 0.25000 1.00000
Cu1 Cu 0.71170 0.96170 0.75000 1.00000
Cu2 Cu 0.28830 0.03830 0.25000 1.00000
Cu3 Cu 0.56060 0.81060 0.75000 1.00000
Cu4 Cu 0.43940 0.18940 0.25000 1.00000
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